Electronic Resource
New York, NY
:
Wiley-Blackwell
International Journal of Quantum Chemistry
15 (1979), S. 49-56
ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The diatomics-in-molecules method is applied to calculate the ground state 1A′ potential energy surface for LiOH. Three different sets of polyatomic basis functions are investigated. An adequate description of the surface is obtained only with the set including both neutral and ionic atomic states.
Additional Material:
2 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560150106
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